Ferromagnetism Induced By Intrinsic Defects And Nitrogen Substitution In Sno_2 Nanotube

Yongjia Zhang; Hua Liu; Hongwei Qin; Jifan Hu

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Ferromagnetism Induced By Intrinsic Defects And Nitrogen Substitution In Sno_2 Nanotube

机译：Sno_2纳米管内在缺陷和氮取代引起的铁磁性。

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The possibilities of magnetism induced by intrinsic defects and nitrogen substitution in (5,5) single-wall SnO_2 nanotube are investigated by ab initio calculations. The calculated results indicate that a stoichio-metric SnO_2 nanotube is nonmagnetic. The tin (Sn) vacancy can induce the magnetic moments rather than oxygen vacancy, which is originated from the polarization of 0 2p electrons. A couple of tin vacancies can lead to the ferromagnetic coupling. A nitrogen substitution for oxygen also produces magnetic moments. When substituting two nitrogen atoms, the characteristics of exchange coupling depend upon the distance of two nitrogen atoms. The longer distance of two nitrogen atoms prefers the ferromagnetic coupling, whereas the short distance leads to the antiferromagnetic coupling.

机译：通过从头算来研究（5,5）单壁SnO_2纳米管中固有缺陷和氮取代引起的磁化的可能性。计算结果表明，化学计量的SnO_2纳米管是非磁性的。锡（Sn）空位可以感应磁矩，而不是氧空位，这是由0 2p电子的极化引起的。几个锡空位会导致铁磁耦合。用氮代替氧也会产生磁矩。当取代两个氮原子时，交换偶合的特性取决于两个氮原子的距离。两个氮原子的距离越长，铁磁耦合越好，而距离越短，反铁磁耦合越好。

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来源
《Applied Surface Science》 |2011年第23期|p.10206-10210|共5页
作者
Yongjia Zhang; Hua Liu; Hongwei Qin; Jifan Hu;
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作者单位

School of Physics, State Key Laboratory for Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

School of Physics, State Key Laboratory for Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

School of Physics, State Key Laboratory for Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

School of Physics, State Key Laboratory for Crystal Materials, Shandong University, Jinan 250100, People's Republic of China;

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正文语种 eng
中图分类
关键词
SnO_2 nanotube; Magnetism; Ab initio calculations; Vacancy;

机译：SnO_2纳米管;磁性;Ab从头算;空位;

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Ferromagnetism Induced By Intrinsic Defects And Nitrogen Substitution In Sno_2 Nanotube

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